>compound L-allo-Threonine_L-allo-Threonine
#instrument UPLC Q-Tof Premier, Waters
>formula C4H9NO3
#smiles CC(O)C(N)C(O)=O
#RECORD LC-ESI-QTOF_train_data/PR100747.txt;LC-ESI-QTOF_train_data/PR100315.txt
>charge -1
>ionization [M-H]-
>parentmass 118.05044

>collision 5-60
74.0254 105.8
118.0504 63.71

>collision 5-60
56.0505 38.57
74.0604 169.6
84.0442 89.26
102.0545 178.3
120.066 56.35

